2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H12FNO2 — CID 21303880

IUPAC2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C14H12FNO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3
InChIKeyXSSSJUBBPNVUKV-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.81
Rot. Bonds2

About 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide

2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 21303880) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID21303880
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C14H12FNO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3
InChIKeyXSSSJUBBPNVUKV-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 21303880) is 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccccc1F)c1cccc(O)c1.
What is the InChIKey of 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is XSSSJUBBPNVUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-16(10-5-4-6-11(17)9-10)14(18)12-7-2-3-8-13(12)15/h2-9,17H,1H3.
What are the key properties of 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide?
2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 245.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 21303880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).